Structure of PDB 4o1m Chain F

Receptor sequence
>4o1mF (length=298) Species: 5811 (Toxoplasma gondii) [Search protein sequence]
PIDLRGQTAFVAGVADSHGYGWAIAKHLASAGARVALGTWPPVLGLFQKS
LQSGRLDEDRKLPDGSLIEFAGVYPLDAAFDKPEDVPQDIKDNKRYAGVD
GYTIKEVAVKVKQDLGNIDILVHSLANGPEVTKPLLETSRKGYLAASSNS
AYSFVSLLQHFGPIMNEGGSAVTLSYLAAERVVPGYGGGMSSAKAALESD
TRTLAWEAGQKYGVRVNAISAGPLKSRAASAISFIDYAIDYSYNNAPLRR
DLHSDDVGGAALFLLSPLARAVSGVTLYVDNGLHAMGQAVDSRSMPPL
3D structure
PDB4o1m The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target
ChainF
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Y189 K197
Catalytic site (residue number reindexed from 1) Y186 K194
Enzyme Commision number 1.3.1.9: enoyl-[acyl-carrier-protein] reductase (NADH).
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 NAD F G16 G22 Y23 W43 L79 D80 A81 L128 A129 L177 S178 Y179 K197 P226 L227 S229 A231 G13 G19 Y20 W40 L76 D77 A78 L125 A126 L174 S175 Y176 K194 P223 L224 S226 A228
Gene Ontology
Molecular Function
GO:0004318 enoyl-[acyl-carrier-protein] reductase (NADH) activity
Biological Process
GO:0006633 fatty acid biosynthetic process

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:4o1m, PDBe:4o1m, PDBj:4o1m
PDBsum4o1m
PubMed24398298
UniProtQ6UCJ9

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